2-(4-methoxybutan-2-yl)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C18H28N2O — CID 79923270

IUPAC2-(4-methoxybutan-2-yl)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCOCCC(C)N1CC2CCCN2CC1c1ccccc1
InChIInChI=1S/C18H28N2O/c1-15(10-12-21-2)20-13-17-9-6-11-19(17)14-18(20)16-7-4-3-5-8-16/h3-5,7-8,15,17-18H,6,9-14H2,1-2H3
InChIKeyCYUWZCCPOLAKDZ-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.93
Rot. Bonds5

About 2-(4-methoxybutan-2-yl)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

2-(4-methoxybutan-2-yl)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 79923270) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-(4-methoxybutan-2-yl)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(4-methoxybutan-2-yl)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID79923270
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-(4-methoxybutan-2-yl)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCOCCC(C)N1CC2CCCN2CC1c1ccccc1
InChIInChI=1S/C18H28N2O/c1-15(10-12-21-2)20-13-17-9-6-11-19(17)14-18(20)16-7-4-3-5-8-16/h3-5,7-8,15,17-18H,6,9-14H2,1-2H3
InChIKeyCYUWZCCPOLAKDZ-UHFFFAOYSA-N
XLogP2.93
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-methoxybutan-2-yl)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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Related Compounds

2-(1-methoxypropan-2-yl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79916856
1-(4-methoxybutan-2-yl)-5-methyl-2-phenylpiperazine
CID 64936696
3-methyl-2-(1-phenylpropan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79938960
2-(1-phenylpropan-2-yl)-3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79922611
3-phenyl-2-prop-2-enyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939604
2-(2-methylsulfanylethyl)-3-phenyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79926702
1-(4-methoxybutan-2-yl)-3-phenyl-1,4-diazepane-2,5-dione
CID 64973109
3-phenyl-2-thiophen-3-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79923019
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)phenyl]methyl]-2-methoxyethanamine
CID 79929020
2-[2-(2-methoxyethyl)phenyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 102908462
3-ethyl-2-(2-phenoxyethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79308881
3-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-phenylpropan-1-amine
CID 79919963

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxybutan-2-yl)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-(4-methoxybutan-2-yl)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 79923270) is 2-(4-methoxybutan-2-yl)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-(4-methoxybutan-2-yl)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-(4-methoxybutan-2-yl)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is COCCC(C)N1CC2CCCN2CC1c1ccccc1.
What is the InChIKey of 2-(4-methoxybutan-2-yl)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is CYUWZCCPOLAKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15(10-12-21-2)20-13-17-9-6-11-19(17)14-18(20)16-7-4-3-5-8-16/h3-5,7-8,15,17-18H,6,9-14H2,1-2H3.
What are the key properties of 2-(4-methoxybutan-2-yl)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
2-(4-methoxybutan-2-yl)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 288.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxybutan-2-yl)-3-phenyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 79923270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).